title: Network structure and concentration fluctuations in a series of elemental, binary, and tertiary liquids and glasses.
abstract: Liquids and glasses continue to produce a lively debate about the nature of the disordered structure in these materials, and whether it is driven by longer range concentration or density fluctuations. One factor often lacking in these studies is an overview of a wide range of structures from which common features of and differences between materials can be identified. Here I examine the structure of a wide range of chain and network, elemental, binary and tertiary liquids and glasses, using available x-ray and neutron diffraction data and combining them with empirical potential structure refinement. Calculation of the Bhatia-Thornton number-number and concentration-concentration structure factors and distribution functions highlights common structural motifs that run through many of the series. It is found that the greatest structural overlap occurs where the nearest-neighbour and second-neighbour coordination numbers are similar for different materials. As these coordination numbers increase, so the structures undergo a sequence of characteristic changes involving increasingly bent bond angle distributions and increased packing fractions. In these regards liquid and amorphous phosphorus appear to be in a structural class of their own, combining both chain-like and network-like characteristics.
authors.affiliation: ISIS Facility, STFC Rutherford Appleton Laboratory, Harwell Science and Innovation Campus, Didcot, Oxon OX11 0QX, UK. alan.soper@stfc.ac.uk
authors.forename: Alan K
authors.initials: AK
authors.lastname: Soper
mesh_terms: D003198:Computer Simulation; D004602:Elements; D005898:Glass / Q000737:chemistry*; D008958:Models, Molecular; D009010:Monte Carlo Method; D012997:Solvents / Q000737:chemistry*
chemical_list: D004602:Elements; D012997:Solvents